Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL654041 | 0.82 | HTR6 (0.36) | GAAHCRTR1HCRTR2KDM2BLMNA | |
| SCHEMBL798809 | 0.81 | GAA (0.39) | GAAHCRTR1HCRTR2USP2KDM2B | |
| SCHEMBL1695160 | 0.71 | SHMT2 (0.37) | HCRTR1HCRTR2LMNAALDH1A1MAPT | |
| SCHEMBL1694600 | 0.70 | GAA (0.38) | GAAHCRTR1HCRTR2USP2KDM2B | |
| SCHEMBL655440 | 0.64 | HTR6 (0.36) | GAAKDM2BLMNAALDH1A1POLB | |
| SCHEMBL7769746 | 0.62 | KDM4E (0.69) | LMNAALDH1A1MAPTCYP1A2CYP3A4 | |
| SCHEMBL3399717 | 0.62 | GAA (0.56) | GAAKDM2BLMNAALDH1A1MAPT | |
| SCHEMBL28611110 | 0.60 | GAA (0.54) | GAAKDM2BLMNAALDH1A1MAPT | |
| SCHEMBL31279942 | 0.59 | GAA (0.60) | GAAKDM2BLMNAALDH1A1MAPT | |
| SCHEMBL11762859 | 0.59 | GAA (0.60) | GAAKDM2BLMNAALDH1A1MAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2616077-A1 | ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES | Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) | 2013-07-24 | — | — | EP | disclosed |
| WO-2012035423-A1 | ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2012-03-22 | — | — | WO | disclosed |